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Niehaus, Thomas A., March, N. H. and Suhai, S. (2010) Correlated and idempotent Dirac first-order density matrices with identical diagonal Fermion density: a route to extract a one-body potential energy in TDDFT. J. Math. Chem. 47, p. 505. Fulltext not available.


Niehaus, Thomas A., Suhai, S. and March, N. H. (2008) Dynamical generalization of a solvable family of two-electron model atoms with general interparticle repulsion. J. Phys. A: Math. Theor. 41, 085304. Fulltext not available.


March, N. H., Niehaus, Thomas A. and Suhai, S. (2006) Influence of the non-interacting density response function on the exchange-only kernel in time dependent density functional theory. Phys. Rev. A 74, 044502. Fulltext not available.

Jalkanen, K. J., Wuertz-Juergensen, V., Claussen, A., Rahim, A., Jensen, G. M., Wade, R. C., Nardi, F., Jung, C., Degtyarenko, I. M., Nieminen, R. M., Herrmann, F., Knapp-Mohammady, M., Niehaus, Thomas A., Frimand, K. and Suhai, S. (2006) The Use of Vibrational Spectroscopy to Study Protein and DNA Structure, Hydration, and Binding of Biomolecules: A Combined Theoretical and Experimental Approach. Int. J. Quantum Chem. 106, p. 1160. Fulltext not available.


Abdali, S., Niehaus, Thomas A., Jalkanen, K. J., Cao, X., Nafie, L.A., Frauenheim, Th., Suhai, S. and Bohr, H. (2003) Vibrational absorption spectra, DFT and SCC-DFTB conformational study and analysis of [Leu]enkephalin. Phys. Chem. Chem. Phys. 5, p. 1295. Fulltext not available.


Frauenheim, Th., Seifert, G., Elstner, M., Niehaus, Thomas A., Köhler, C., Amkreutz, M., Sternberg, M., Hajnal, Z., Di Carlo, A. and Suhai, S. (2002) Atomistic simulations of complex materials: ground-state and excited-state properties. J. Phys.: Condens. Matter 14, p. 3015. Fulltext not available.


Niehaus, Thomas A., Elstner, M., Frauenheim, Th. and Suhai, S. (2001) Application of an approximate density-functional method to sulphur containing compounds. J. Mol. Struc., THEOCHEM 541, p. 185. Fulltext not available.

Torralva, B., Niehaus, Thomas A., Allen, R. E., Elstner, M., Frauenheim, Th. and Suhai, S. (2001) Response of C(<sub>60</sub>) and C(<sub>n</sub>) to ultrashort laser pulses. Phys. Rev. B 64, p. 153105. Fulltext not available.

Niehaus, Thomas A., Suhai, S., Della Sala, F., Lugli, P., Elstner, M., Seifert, G. and Frauenheim, Th. (2001) Tight-binding approach to time-dependent density-functional response theory. Phys. Rev. B 63, 085108. Fulltext not available.

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